N-(cyclohexylmethyl)-1-{4-[(3,4-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(cyclohexylmethyl)-1-{4-[(3,4-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-(cyclohexylmethyl)-1-{4-[(3,4-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0658 |
| Compound Name: | N-(cyclohexylmethyl)-1-{4-[(3,4-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C25 H32 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5033 |
| logD: | 5.4911 |
| logSw: | -5.3461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.745 |
| InChI Key: | HMKCQTGWKZUGAI-UHFFFAOYSA-N |